SpectraBase Spectrum ID |
I27DZAjc6Rl |
Name |
5-(2,3,4,5,6-Pentafluorobenzylidene)-2-(phenylimino)-4-thiazolidinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
370.019924841 u |
Formula |
C16H7F5N2OS |
InChI |
InChI=1S/C16H7F5N2OS/c17-10-8(11(18)13(20)14(21)12(10)19)6-9-15(24)23-16(25-9)22-7-4-2-1-3-5-7/h1-6H,(H,22,23,24)/b9-6- |
InChIKey |
REXMFAQTGWPLPA-TWGQIWQCSA-N |
Molecular Weight |
370.297 g/mol |
SMILES |
C1(=C(C(=C(C(=C1F)F)\C=C\1S\C(NC1=O)=N\C1=CC=CC=C1)F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89507 |